N-methylcyclohexa-1,5-diene-1-sulfonamide

C7H11NO2S — CID 89177335

IUPACN-methylcyclohexa-1,5-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CCCC=C1
InChIInChI=1S/C7H11NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h3,5-6,8H,2,4H2,1H3
InChIKeyYIRAEHVITOIUQP-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.77
Rot. Bonds2

About N-methylcyclohexa-1,5-diene-1-sulfonamide

N-methylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 89177335) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is N-methylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound NameN-methylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID89177335
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC NameN-methylcyclohexa-1,5-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CCCC=C1
InChIInChI=1S/C7H11NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h3,5-6,8H,2,4H2,1H3
InChIKeyYIRAEHVITOIUQP-UHFFFAOYSA-N
XLogP0.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z,4Z)-3-fluoro-N-methylhepta-2,4-diene-2-sulfonamide
CID 141969935
5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide
CID 144797853
Cyclohepta-2,4,6-trienesulfonic acid, methylamide
CID 563175
Cyclohexa-1,3-diene-1-sulfonamide
CID 21862867
N-methylcyclohexa-1,3-diene-1-sulfonamide
CID 22282495
Cyclohexa-1,5-diene-1-sulfonamide
CID 22760617
N-cyclohexa-1,3-dien-1-ylsulfonylformamide
CID 56611102
N-methylcyclopenta-1,4-diene-1-sulfonamide
CID 58109927
N-methylbenzenesulfonamide;yttrium
CID 59486347
N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+)
CID 59534028
1-(Aminomethyl)cyclohexa-2,4-diene-1-sulfonamide
CID 69681430
N-methylcyclohexa-2,4-diene-1-sulfonamide
CID 70317895

Frequently Asked Questions

What is the IUPAC name of N-methylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of N-methylcyclohexa-1,5-diene-1-sulfonamide (CID 89177335) is N-methylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for N-methylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for N-methylcyclohexa-1,5-diene-1-sulfonamide is CNS(=O)(=O)C1=CCCC=C1.
What is the InChIKey of N-methylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is YIRAEHVITOIUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h3,5-6,8H,2,4H2,1H3.
What are the key properties of N-methylcyclohexa-1,5-diene-1-sulfonamide?
N-methylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 173.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 89177335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).